(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide

C16H21NO2 — CID 75494342

IUPAC(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccc1)C(=O)/C=C/C1CC1
InChIInChI=1S/C16H21NO2/c1-19-12-11-17(13-15-5-3-2-4-6-15)16(18)10-9-14-7-8-14/h2-6,9-10,14H,7-8,11-13H2,1H3/b10-9+
InChIKeyDHWBLTUSDJHYAJ-MDZDMXLPSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds7

About (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide

(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 75494342) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide
PubChem CID75494342
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccc1)C(=O)/C=C/C1CC1
InChIInChI=1S/C16H21NO2/c1-19-12-11-17(13-15-5-3-2-4-6-15)16(18)10-9-14-7-8-14/h2-6,9-10,14H,7-8,11-13H2,1H3/b10-9+
InChIKeyDHWBLTUSDJHYAJ-MDZDMXLPSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 127020353
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2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
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CID 103515233
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
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(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 120783698
N,N-dibenzylbut-2-enamide
CID 71340814
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
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CID 134028374

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide (CID 75494342) is (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide is COCCN(Cc1ccccc1)C(=O)/C=C/C1CC1.
What is the InChIKey of (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is DHWBLTUSDJHYAJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-12-11-17(13-15-5-3-2-4-6-15)16(18)10-9-14-7-8-14/h2-6,9-10,14H,7-8,11-13H2,1H3/b10-9+.
What are the key properties of (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide?
(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 259.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 75494342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).